>compound Gly-Gly_Gly-Gly
#instrument UPLC Q-Tof Premier, Waters
>formula C4H8N2O3
#smiles NCC(=O)NCC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100136.txt;LC-ESI-QTOF_train_data/PR100558.txt
>charge 1
>ionization [M+H]+
>parentmass 133.06129

>collision 5-60
112.0165 52.32
133.0613 581.6

>collision 5-60
74.0255 31.29
87.0562 35.6
129.8701 7.631
130.8789 4.804
131.0457 51.71

